Structure of PDB 6fu2 Chain D Binding Site BS02

Receptor Information
>6fu2 Chain D (length=208) Species: 334543 (Psychrobacter arcticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FLGLTLALSKGRILEETMPLLRAAGVELLEDPEASRKLIFPTSNPNVRVL
ILRASDVPTYVEHGAADFGVAGKDVLLEHGANHVYELLDLKIAQCKLMTA
GVKDAPLPNRRLRIATKYVNVARAYFASQGQQVDVIKLYGSMELAPLVGL
GDLIVDVVDTGNTLRANGLEARDHICDVSSRLIVNQVSYKRKFALLEPIL
DSFKNSIN
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6fu2 Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fu2 Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Resolution2.71 Å
Binding residue
(original residue number in PDB)		R32 D94 A113 C115 V177 D179
Binding residue
(residue number reindexed from 1)		R12 D74 A93 C95 V157 D159
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.2.17: ATP phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0003879 ATP phosphoribosyltransferase activity
GO:0005524 ATP binding
GO:0016757 glycosyltransferase activity
Biological Process
GO:0000105 L-histidine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6fu2, PDBe:6fu2, PDBj:6fu2
PDBsum6fu2
PubMed
UniProtQ4FQF7|HIS1_PSYA2 ATP phosphoribosyltransferase (Gene Name=hisG)

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